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Journal Abstract Search

445 related items for PubMed ID: 16422607

  • 1. Flexible simple point-charge water model with improved liquid-state properties.
    Wu Y, Tepper HL, Voth GA.
    J Chem Phys; 2006 Jan 14; 124(2):024503. PubMed ID: 16422607
    [Abstract] [Full Text] [Related]

  • 2. Role of nonadditive forces on the structure and properties of liquid water.
    Li J, Zhou Z, Sadus RJ.
    J Chem Phys; 2007 Oct 21; 127(15):154509. PubMed ID: 17949175
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  • 3. Influence of bond flexibility on the vapor-liquid phase equilibria of water.
    Raabe G, Sadus RJ.
    J Chem Phys; 2007 Jan 28; 126(4):044701. PubMed ID: 17286493
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  • 4. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
    Patel SA, Brooks CL.
    J Chem Phys; 2006 May 28; 124(20):204706. PubMed ID: 16774363
    [Abstract] [Full Text] [Related]

  • 5. A study of N-methylacetamide in water clusters: based on atom-bond electronegativity equalization method fused into molecular mechanics.
    Yang ZZ, Qian P.
    J Chem Phys; 2006 Aug 14; 125(6):64311. PubMed ID: 16942290
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  • 6. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y, Patel S.
    J Phys Chem B; 2009 Jan 22; 113(3):767-78. PubMed ID: 19115819
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  • 7. An accurate and simple quantum model for liquid water.
    Paesani F, Zhang W, Case DA, Cheatham TE, Voth GA.
    J Chem Phys; 2006 Nov 14; 125(18):184507. PubMed ID: 17115765
    [Abstract] [Full Text] [Related]

  • 8. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
    Patel S, Brooks CL.
    J Chem Phys; 2005 Oct 22; 123(16):164502. PubMed ID: 16268707
    [Abstract] [Full Text] [Related]

  • 9. Hydrogen-bond dynamics in the air-water interface.
    Liu P, Harder E, Berne BJ.
    J Phys Chem B; 2005 Feb 24; 109(7):2949-55. PubMed ID: 16851308
    [Abstract] [Full Text] [Related]

  • 10. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL, Patel S.
    J Chem Phys; 2007 Aug 14; 127(6):064509. PubMed ID: 17705614
    [Abstract] [Full Text] [Related]

  • 11. A novel approach for designing simple point charge models for liquid water with three interaction sites.
    Glättli A, Daura X, Van Gunsteren WF.
    J Comput Chem; 2003 Jul 15; 24(9):1087-96. PubMed ID: 12759908
    [Abstract] [Full Text] [Related]

  • 12. Classical molecular-dynamics simulation of the hydroxyl radical in water.
    Campo MG, Grigera JR.
    J Chem Phys; 2005 Aug 22; 123(8):084507. PubMed ID: 16164312
    [Abstract] [Full Text] [Related]

  • 13. Clusters of classical water models.
    Kiss PT, Baranyai A.
    J Chem Phys; 2009 Nov 28; 131(20):204310. PubMed ID: 19947683
    [Abstract] [Full Text] [Related]

  • 14. An improved multistate empirical valence bond model for aqueous proton solvation and transport.
    Wu Y, Chen H, Wang F, Paesani F, Voth GA.
    J Phys Chem B; 2008 Jan 17; 112(2):467-82. PubMed ID: 17999484
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  • 15. Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field.
    Noskov SY, Lamoureux G, Roux B.
    J Phys Chem B; 2005 Apr 14; 109(14):6705-13. PubMed ID: 16851754
    [Abstract] [Full Text] [Related]

  • 16. Liquid water simulation: a critical examination of cutoff length.
    Yonetani Y.
    J Chem Phys; 2006 May 28; 124(20):204501. PubMed ID: 16774347
    [Abstract] [Full Text] [Related]

  • 17. Hydration and dewetting near graphite-CH(3) and graphite-COOH plates.
    Li J, Liu T, Li X, Ye L, Chen H, Fang H, Wu Z, Zhou R.
    J Phys Chem B; 2005 Jul 21; 109(28):13639-48. PubMed ID: 16852709
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  • 18. Computational studies of liquid water and diluted water in carbon tetrachloride.
    Chang TM, Dang LX.
    J Phys Chem A; 2008 Feb 28; 112(8):1694-700. PubMed ID: 18232676
    [Abstract] [Full Text] [Related]

  • 19. Theory for an order-driven disruption of the liquid state in water.
    England JL, Park S, Pande VS.
    J Chem Phys; 2008 Jan 28; 128(4):044503. PubMed ID: 18247965
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  • 20. Hydrogen bonding definitions and dynamics in liquid water.
    Kumar R, Schmidt JR, Skinner JL.
    J Chem Phys; 2007 May 28; 126(20):204107. PubMed ID: 17552754
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